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N,N,N',N'-四甲基胍四苯基硼酸盐

N,N,N',N'-Tetra-methyl-guanidinium tetra-phenyl-borate.

作者信息

Tiritiris Ioannis

机构信息

Fakultät Chemie/Organische Chemie, Hochschule Aalen, Beethovenstrasse 1, D-73430 Aalen, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3500. doi: 10.1107/S160053681204860X. Epub 2012 Nov 30.

DOI:10.1107/S160053681204860X
PMID:23476307
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3589071/
Abstract

In the title salt, C5H14N3(+)·C24H20B(-), the C-N bond lengths in the central CN3 unit are 1.3322 (11), 1.3385 (12) and 1.3422 (12) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry [N-C-N angles = 119.51 (8), 119.81 (9) and 120.69 (8)°] and the positive charge is delocalized in the CN3 plane. The bond lengths between the N atoms and the terminal methyl groups all have values close to a typical single bond [1.4597 (12)-1.4695 (13) Å]. The crystal packing is caused by electrostatic inter-actions between cations and anions.

摘要

在标题盐C5H14N3(+)·C24H20B(-)中，中心CN3单元中的C-N键长分别为1.3322 (11)、1.3385 (12)和1.3422 (12) Å，表明具有部分双键特征。中心C原子以近乎理想的三角平面几何构型与三个N原子相连[N-C-N键角 = 119.51 (8)、119.81 (9)和120.69 (8)°]，正电荷在CN3平面上离域。N原子与末端甲基之间的键长值均接近典型单键[1.4597 (12)-1.4695 (13) Å]。晶体堆积是由阳离子和阴离子之间的静电相互作用引起的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4f39/3589071/3759a49c37b2/e-68-o3500-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4f39/3589071/3759a49c37b2/e-68-o3500-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4f39/3589071/3759a49c37b2/e-68-o3500-fig1.jpg

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